N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C16H15FN2O3S — CID 2987467

IUPACN-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-23(21,22)19-8-7-11-9-12(5-6-15(11)19)16(20)18-14-4-2-3-13(17)10-14/h2-6,9-10H,7-8H2,1H3,(H,18,20)
InChIKeyGVPUZGIMQAGYKP-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.40
Rot. Bonds3

About N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 2987467) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID2987467
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-23(21,22)19-8-7-11-9-12(5-6-15(11)19)16(20)18-14-4-2-3-13(17)10-14/h2-6,9-10H,7-8H2,1H3,(H,18,20)
InChIKeyGVPUZGIMQAGYKP-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide
CID 29335269
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
CID 9361204
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55383141

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 2987467) is N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(F)c3)ccc21.
What is the InChIKey of N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is GVPUZGIMQAGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-23(21,22)19-8-7-11-9-12(5-6-15(11)19)16(20)18-14-4-2-3-13(17)10-14/h2-6,9-10H,7-8H2,1H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 2987467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).